Model name: model_name=EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5199999883770943
cohesive_energy=4.450349977830181
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 7.7715611723761e-16 eV

========================================
theta = 0.0
========================================

Energy: 0.0181599881675032
Energy: -1.6545023889432062
Energy: -3.6954666064164865
Energy: -1.6545023889425816
Energy: -1.6545023889432062
Energy: 0.8931787261102859
Energy: -1.6545023889425816
Energy: 0.8931787261115721
Energy: -3.6954666064087314
Energy: -1.6545023889432062
Energy: 0.0181599881675032
Energy: -1.6545023889432062
Energy: -1.6545023889432062
Energy: 0.8931787261102859
Energy: -1.6545023889432062
Energy: 0.8931787261102859

minimum gb energy = -3.6954666064164865 eV
minimum distance =  2.45018921127593 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.3381724893050495
Energy: 1.327785970269993
Energy: 1.956970693532494
Energy: 1.3848429342474597
Energy: 1.9610076012485607
Energy: 1.441128988985794
Energy: 1.532592041559879
Energy: 1.4411289889865961
Energy: 2.256938701584994
Energy: 1.5554297479357313
Energy: 1.344085211435052
Energy: 1.5554297478836554
Energy: 1.411670417661411
Energy: 2.028032911442376
Energy: 1.3780484287554908
Energy: 2.028032911443981
Energy: 1.1969505506927771
Energy: 1.6075930237647968
Energy: 1.7996836601683603
Energy: 1.607593023803307
Energy: 1.816537763913219
Energy: 2.4014619509496913
Energy: 1.5415617748299544
Energy: 2.4014619509496913
Energy: 1.514798062851432
Energy: 1.5734378108853382
Energy: 2.05672377712992
Energy: 1.5734378108917564
Energy: 1.7689085299433556
Energy: 1.980892215648016
Energy: 1.5966779718808821
Energy: 1.9808922156472137
Energy: 1.2544320675069442
Energy: 1.5453857252558068
Energy: 1.8275774260679358
Energy: 1.5453857252414387
Energy: 1.9466068208722787
Energy: 2.412194406192354
Energy: 3.2578534332572318
Energy: 2.4121944061931564
Energy: 1.196201273599417
Energy: 1.661555753022662
Energy: 1.582189557136619
Energy: 1.661555752569586
Energy: 1.0471213621437083
Energy: 2.047114624133396
Energy: 1.1035101409840204
Energy: 2.047114624134198
Energy: 1.5332444790734676
Energy: 1.1996828535788413
Energy: 2.3645679287424732
Energy: 1.1996828535700161
Energy: 1.2758831856874007
Energy: 2.1481239163393444
Energy: 1.4905079573503686
Energy: 2.1481239163409493
Energy: 1.6101330176577937
Energy: 1.5302639344226296
Energy: 1.2823945027857697
Energy: 1.5302639344218274
Energy: 1.3722793087520122
Energy: 1.859205313872033
Energy: 1.399890746682315
Energy: 1.8592053138728353
Energy: 1.3579543436573167
Energy: 1.5376370659557923
Energy: 1.4685961266433525
Energy: 1.5376370659622105
Energy: 0.6592616967622731
Energy: 1.920762273808773
Energy: 2.065781063501176
Energy: 1.9207622738151913
Energy: 2.130064335687205
Energy: 1.5595840745312133
Energy: 1.3397074745990158
Energy: 1.5595840745280043
Energy: 1.4941473014740096
Energy: 1.9335604541585278
Energy: 2.19326740513607
Energy: 1.9335604541192155
Energy: 0.9006255295113802
Energy: 2.5414446655447205
Energy: 1.5839078666244462
Energy: 2.541444665543116
Energy: 1.5705098169588312
Energy: 2.1356700576696652
Energy: 1.2815163652155965
Energy: 2.1356700576696652
Energy: 1.616915413636268
Energy: 1.6430670056480006
Energy: 2.5282374810399526
Energy: 1.6430670056496053
Energy: 1.414006830512779
Energy: 2.5474980678312615
Energy: 1.6305832962014781
Energy: 2.547498067832064
Energy: 1.957823675174669
Energy: 1.7299066539097254
Energy: 1.232685272593925
Energy: 1.7299066539089232
Energy: 1.0583191403855123
Energy: 1.8982542650345757
Energy: 1.8937747297053185
Energy: 1.898254265035378
Energy: 1.415218892525046
Energy: 1.5674670960204538
Energy: 1.8067071957307281
Energy: 1.5674670960196513
Energy: 3.531842075240488
Energy: 2.356123126934472
Energy: 1.7029953392361767
Energy: 2.35612312693367
Energy: 1.2494781197924794
Energy: 1.8127055318594225
Energy: 1.992263119395913
Energy: 1.8127055318649656
Energy: 1.3345513090887589
Energy: 1.7730188015485853
Energy: 2.0494348230599964
Energy: 1.7730188015477826
Energy: 2.106662280120338
Energy: 1.2900991213653064
Energy: 1.7699890831082983
Energy: 1.2900991213669109
Energy: 1.3816964935875502
Energy: 2.4138847997604658
Energy: 1.3222361908555829
Energy: 2.4138847997612682
Energy: 2.1276881984491482
Energy: 1.4395797985185852
Energy: 1.5774807746280701
Energy: 1.4395797985225969

minimum gb energy = 0.6592616967622731 eV
minimum distance =  2.23188022132261 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.2760008636956748
Energy: 1.398758807071339
Energy: 6.750010589162352
Energy: 1.3987588070731687
Energy: 1.0301288358262173
Energy: 1.1575986023098122
Energy: 0.8250059169589813
Energy: 1.1575986023198745
Energy: 1.6385084793837335
Energy: 1.297715205980878
Energy: 1.8086931284307581
Energy: 1.063562643097877
Energy: 0.9276348683863413
Energy: 1.6949998705895268
Energy: 1.579157631970571
Energy: 1.6949998706142255
Energy: 1.0354073232145893
Energy: 1.3940457722773845
Energy: 2.1586805761244032
Energy: 1.3940457722810433
Energy: 1.0322240412201171
Energy: 1.5548007825650914
Energy: 2.079598239490293
Energy: 1.5548007825678356
Energy: 1.3435428777825795
Energy: 1.8223187006385362
Energy: 2.0833142036109717
Energy: 1.8223187005855224
Energy: 1.5597076376551775
Energy: 1.3353773397377553
Energy: 2.095805616342561
Energy: 1.2478186638493058
Energy: 1.188144160521874
Energy: 1.723726981018012
Energy: 1.0789168540667993
Energy: 1.7237269810993836
Energy: 1.2705698054730947
Energy: 1.4338436360660436
Energy: 4.105101697517052
Energy: 1.4338436360248799
Energy: 1.2315411034190358
Energy: 1.8673816408633597
Energy: 1.2102055179306466
Energy: 1.8673816408661041
Energy: 1.6902261218483665
Energy: 1.4384987156409421
Energy: 1.5082269027936557
Energy: 1.4384987156391125
Energy: 0.9314793362996732
Energy: 1.6344192414358114
Energy: 2.7295224647816574
Energy: 1.6344192414394705
Energy: 1.72346751532262
Energy: 1.4755694649496236
Energy: 2.7904910616258873
Energy: 1.47556946510509
Energy: 1.0720031937797214
Energy: 1.0245659853385194
Energy: 1.5094288177066923
Energy: 1.0245659732700583
Energy: 1.3075538829903304
Energy: 1.6820595830243836
Energy: 1.8356959885572215
Energy: 1.6642595221935914
Energy: 1.3284037952641516
Energy: 1.5331430833654314
Energy: 3.6035873366451883
Energy: 1.53314698740625
Energy: 1.2036136783120104
Energy: 1.7518650419265829
Energy: 0.7615082717716773
Energy: 1.7518650419238389
Energy: 1.1271976082763635
Energy: 1.5300148181289095
Energy: 2.095713286032336
Energy: 1.5300148181261652
Energy: 1.4745323168134317
Energy: 1.5309494355212965
Energy: 1.4037304305074008
Energy: 1.530949435541421
Energy: 1.0235536997934236
Energy: 1.6828752843264079
Energy: 1.8263679249340927
Energy: 1.6828752843099422
Energy: 1.2951928862662858
Energy: 1.7348797193355439
Energy: 2.3413695501467746
Energy: 1.7348797193382883
Energy: 1.3622426363708189
Energy: 2.1521827842573917
Energy: 1.8788018192052147
Energy: 2.152182784256477
Energy: 1.9841545708165278
Energy: 1.5107832027651613
Energy: 1.8086366918594365
Energy: 1.5107832027642465
Energy: 1.18417447087028
Energy: 1.177231148564314
Energy: 1.4509726463309296
Energy: 1.177231148601819
Energy: 1.2760009115315603
Energy: 1.3987588070658508
Energy: 5.754370598230794
Energy: 1.3987588070612769
Energy: 1.030128835827132
Energy: 1.1575986023143858
Energy: 0.8250059169580665
Energy: 1.1575986023198745
Energy: 1.6385084793169982
Energy: 1.2956549052019235
Energy: 1.8086931284307581
Energy: 1.2956528034658863
Energy: 0.9276348689257962
Energy: 1.6949998706023337
Energy: 1.447474008291421
Energy: 1.6949998706425828

minimum gb energy = 0.7615082717716773 eV
minimum distance =  2.12875228169937 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.6114198318348776
Energy: 1.875040784860396
Energy: 1.8747480916142711
Energy: 1.875040784860396
Energy: 1.9656440136246933
Energy: 1.3175870134641938
Energy: 1.4463410062096624
Energy: 1.3174598987178627
Energy: 1.929342974685144
Energy: 1.4226484479364203
Energy: 1.2865905093069974
Energy: 1.4226484478630956
Energy: 0.781401453718301
Energy: 1.8017265356141674
Energy: 1.0008976162468233
Energy: 1.80172653560247
Energy: 0.9360295132672392
Energy: 2.2088870465200636
Energy: 1.2803995898346667
Energy: 2.2088870465200636
Energy: 2.1494688288835264
Energy: 1.764511764490194
Energy: 1.0362390171906133
Energy: 1.7645117644859403
Energy: 1.0789976525398992
Energy: 1.9867527259696403
Energy: 2.1452212185245885
Energy: 1.9867528601860212
Energy: 2.162686523190295
Energy: 1.649927854470217
Energy: 1.550859315676666
Energy: 1.6499278544776605
Energy: 1.1443704723844061
Energy: 1.503674030703939
Energy: 1.681737576069596
Energy: 1.5036740306125367
Energy: 1.0398001812030833
Energy: 1.8858527239761378
Energy: 2.1933181787692013
Energy: 1.8858527239761378
Energy: 1.9589005039420977
Energy: 1.6525676317272375
Energy: 1.3976484457165843
Energy: 1.6525676317304276
Energy: 1.2781749755268168
Energy: 1.2494684972620593
Energy: 1.0678822600494944
Energy: 1.2494684972758834
Energy: 1.386310593289519
Energy: 1.833083196156589
Energy: 1.3176166777899978
Energy: 1.833083196156589
Energy: 1.5157875571668904
Energy: 1.8006468019536457
Energy: 2.1911666573289925
Energy: 1.8006468017867434
Energy: 1.5736241232853907
Energy: 2.1841534116817423
Energy: 0.874001971133888
Energy: 2.184153411677489
Energy: 1.4713290674121249
Energy: 1.733396384368656
Energy: 1.50232904717839
Energy: 1.7333963843867333
Energy: 1.0301510375105851
Energy: 1.1868327111781702
Energy: 0.7347095928747359
Energy: 1.1868328425693468
Energy: 1.950623018903419
Energy: 1.8983136370853222
Energy: 2.7148954691526965
Energy: 1.8983136372383518
Energy: 1.5765401073156666
Energy: 2.093722002404507
Energy: 0.9807349746500916
Energy: 2.093722002404507
Energy: 1.7244894492014318
Energy: 1.4954325345980888
Energy: 1.7910961832132515
Energy: 1.4954325344461221
Energy: 1.345534570123198
Energy: 1.5070911262359157
Energy: 1.1699067422930378
Energy: 1.5070911262380422
Energy: 0.7194450772527821
Energy: 1.5219959552240314
Energy: 1.573046280569621
Energy: 1.5219959552250948
Energy: 0.9445974482770587
Energy: 1.7211013219678912
Energy: 1.2493721366556991
Energy: 1.7211013219689548
Energy: 3.0873298464015844
Energy: 1.526183337489931
Energy: 1.5746165162025343
Energy: 1.5261833374792972
Energy: 1.2440394428347632
Energy: 2.0551843917410317
Energy: 1.7408154094859123
Energy: 2.0551843917410317

minimum gb energy = 0.7194450772527821 eV
minimum distance =  1.97959208333745 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.3308101986347007
Energy: 1.1743878501543017
Energy: 0.34509437932614984
Energy: 1.1743878501555702
Energy: 0.40787983479445955
Energy: 1.1167265588234805
Energy: 0.8598832535727196
Energy: 1.116726558822212
Energy: 1.6302915250449013
Energy: 0.9688381822285341
Energy: 1.0060573575447294
Energy: 0.9688381822298027
Energy: 1.4560808161948415
Energy: 1.1419801294076197
Energy: 1.423847189070214
Energy: 1.1419801294050826
Energy: 0.5914600726257064
Energy: 1.5277188651676603
Energy: 1.2939296388564963
Energy: 1.5277188651701972
Energy: 2.0070304363069242
Energy: 1.6779023404347297
Energy: 1.5393855731606796
Energy: 1.6774864148882376
Energy: 1.177388912442753
Energy: 1.9787095507601205
Energy: 1.309683261182199
Energy: 1.9787095507575836
Energy: 0.362551589698229
Energy: 1.3248933512277032
Energy: 1.344223426108466
Energy: 1.3248933516955617
Energy: 0.48423876820217
Energy: 1.4645812356219745
Energy: 1.8278259871534885
Energy: 1.4645812114290961
Energy: 1.0790771098612326
Energy: 1.4286655467374265
Energy: 1.3310105554111382
Energy: 1.428665546524428
Energy: 1.4787706510769394
Energy: 1.5357990120798837
Energy: 0.726201490881677
Energy: 1.5357990120748095
Energy: 1.7941374760749043
Energy: 1.6234039618733518
Energy: 0.6402267681682757
Energy: 1.623403961872083
Energy: 1.9459564749957081
Energy: 1.5863754526461198
Energy: 1.7983933547042488
Energy: 1.586375452045123
Energy: 1.4038966238029422
Energy: 1.9415752710294103
Energy: 1.4656347241970384
Energy: 1.9415752710294103
Energy: 0.7907432490094262
Energy: 1.4046898925046045
Energy: 1.8035906731125986
Energy: 1.404689893515194
Energy: 1.5126000388673337
Energy: 1.2879883469838236
Energy: 1.5963964107743231
Energy: 1.2879883469838236
Energy: 1.7759508610677364
Energy: 1.8325673672879426
Energy: 1.0655510074996986
Energy: 1.8325673672879426
Energy: 1.1463291233303534
Energy: 1.5249309529197905
Energy: 1.4336832364348389
Energy: 1.5249309529197905
Energy: 0.5471462335604075
Energy: 1.1754924028761424
Energy: 1.5756559159197154
Energy: 1.175492402920512
Energy: 1.624874794244568
Energy: 1.6136128302934583
Energy: 0.780473730128898
Energy: 1.6136128302262547
Energy: 0.4053372272965538
Energy: 1.7720125155332334
Energy: 1.1375792990284712
Energy: 1.7720125155332334

minimum gb energy = 0.34509437932614984 eV
minimum distance =  2.25885721957653 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.2703711203955894
Energy: 1.7484734560077466
Energy: 2.8352733241937327
Energy: 1.7484734560077466
Energy: 0.418426417479467
Energy: 1.5192276654028436
Energy: 1.4443788427157074
Energy: 1.5192276633282638
Energy: 0.6920781048675776
Energy: 1.941232254362931
Energy: 0.8442532242141216
Energy: 1.941232254362931
Energy: 1.4985350299143372
Energy: 1.4738205889373726
Energy: 1.5844329431694693
Energy: 1.4738205889342348
Energy: 0.8932342504323255
Energy: 2.7338869082465718
Energy: 1.7952693934229893
Energy: 2.733886908290462
Energy: 1.019111531405775
Energy: 1.4093266190043132
Energy: 1.3518657356674775
Energy: 1.4093266189996068
Energy: 1.7395179969090702
Energy: 2.233997087975628
Energy: 2.056260177018642
Energy: 2.233997087975628
Energy: 1.8500689658907206
Energy: 0.34406759901787565
Energy: 1.0988867827991509
Energy: 0.34406759901787565
Energy: 0.9346171738124364
Energy: 1.603119410261463
Energy: 0.5647190432503674
Energy: 1.6031194102536193
Energy: 1.6018955048699717
Energy: 1.6610489777649902
Energy: 1.348438711785476
Energy: 1.6610489777634212
Energy: 1.7840827560311003
Energy: 1.7204706651596566
Energy: 2.5994950903441496
Energy: 1.7204706651439687
Energy: 1.316089687796092
Energy: 1.4329146479942394
Energy: 1.4450031884301253
Energy: 1.4329146479958084
Energy: 0.37317106737087113
Energy: 1.5121382051249075
Energy: 1.3821716516007911
Energy: 1.5121382051249075
Energy: 1.174047132037345
Energy: 1.522837108783592
Energy: 1.2460457151441409
Energy: 1.5228371087851609
Energy: 0.7163961346973541
Energy: 1.4253572753505683
Energy: 2.7453369039658932
Energy: 1.4253572753489996
Energy: 1.4922230899756508
Energy: 1.664836275281081
Energy: 0.21578220538787765
Energy: 1.664836275281081
Energy: 2.2062077741362462
Energy: 2.744784423234343
Energy: 0.8642517009959725
Energy: 2.744784423234343

minimum gb energy = 0.21578220538787765 eV
minimum distance =  1.77294332508412 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.813086896953563
Energy: 1.658062237578068
Energy: 0.6995057704819172
Energy: 1.6580622375585212
Energy: 1.5387406572675177
Energy: 1.6169654284663315
Energy: 2.131317576586395
Energy: 1.6169654283579764
Energy: 2.3859154306878403
Energy: 1.806703297606726
Energy: 1.5556998771097617
Energy: 1.806703488713502
Energy: 1.32890841158043
Energy: 2.1345083712107344
Energy: 1.5743802997198089
Energy: 2.1345083712222843
Energy: 2.0599895991686603
Energy: 2.249603387485361
Energy: 1.4839885288656718
Energy: 2.2496033874862498
Energy: 1.5183886461395166
Energy: 1.5377154320199622
Energy: 2.215532526589737
Energy: 1.537715440751686
Energy: 2.161979142777515
Energy: 1.8133047371112332
Energy: 1.8417311009941255
Energy: 1.813304737102348
Energy: 2.0696359550212513
Energy: 1.1893021302333122
Energy: 1.714779418863648
Energy: 1.1893021266685018
Energy: 1.7367596753202643
Energy: 1.5084676794986058
Energy: 2.582684400208812
Energy: 1.5084676794977174
Energy: 1.5778154680623497
Energy: 2.258381426193843
Energy: 1.6356524625950393
Energy: 2.2583814261014807
Energy: 1.3681492654750722
Energy: 1.9154750510809215
Energy: 2.7188443680363172
Energy: 1.9154750524619122
Energy: 1.6124439534111872
Energy: 1.697487185318042
Energy: 1.3937382856228984
Energy: 1.6974871853171534
Energy: 2.7220109486335105
Energy: 1.9093963043351425
Energy: 1.6086605608254325
Energy: 1.90939630430138
Energy: 1.1370173527441518
Energy: 1.5715701458446418
Energy: 1.5568089112167955
Energy: 1.571570144923685
Energy: 1.405495922851193
Energy: 1.8449147765329406
Energy: 1.351898907742002
Energy: 1.8449147765338294
Energy: 1.347105304168594
Energy: 1.7764570186314617
Energy: 1.4583023357634508
Energy: 1.7764570180852846
Energy: 1.9414882323464415
Energy: 2.3678550422611124
Energy: 1.9348447603602272
Energy: 2.3678550426998632
Energy: 3.056403749510815
Energy: 1.5095896299706044
Energy: 0.9401865934272898
Energy: 1.5095895940037356
Energy: 1.34236050342886
Energy: 1.618237492460698
Energy: 1.5541174447175252
Energy: 1.6182374924580323
Energy: 0.8342075301195253
Energy: 2.0548982170870773
Energy: 1.395514611277573
Energy: 2.0548982185905986
Energy: 1.7172812224657328
Energy: 1.814245603850933
Energy: 1.9069126626537833
Energy: 1.8142456037967354
Energy: 1.4099339344755695
Energy: 2.4350139769868053
Energy: 1.5560758027280117
Energy: 2.4350139769868053
Energy: 1.455139490301728
Energy: 2.0349904312248124
Energy: 1.4731434068988174
Energy: 2.0349904312505784
Energy: 1.726492518325387
Energy: 1.0145144388195309
Energy: 1.2100963334368
Energy: 1.0106714871843556
Energy: 1.3328413616780042
Energy: 1.7353809737803914
Energy: 2.3330372148213705
Energy: 1.8113670386304022
Energy: 2.018051240744379
Energy: 1.7653235070023188
Energy: 1.0866528743480681
Energy: 1.7653235070094266
Energy: 1.2060821883373027
Energy: 1.8821199474741277
Energy: 2.183998900411254
Energy: 1.8821199474741277
Energy: 1.9331867649193442
Energy: 2.260468589881857
Energy: 1.84222285252148
Energy: 2.2604685898809684
Energy: 2.160671268130581
Energy: 2.2521211590568413
Energy: 2.2154931432213414
Energy: 2.2521211590568413
Energy: 1.3925225266956869
Energy: 1.569861664471767
Energy: 2.3739635421477683
Energy: 1.5698616640934333

minimum gb energy = 0.6995057704819172 eV
minimum distance =  2.19810714792689 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.7366066943043725
Energy: 1.185561754729314
Energy: 3.416852448016857
Energy: 1.185561754729314
Energy: 1.3353606089185992
Energy: 2.024212690126654
Energy: -0.2588663691067151
Energy: 2.0242126901286994
Energy: 1.110842250923591
Energy: 1.7887003318905161
Energy: 0.9037777732802648
Energy: 1.7887003318884707
Energy: 1.6116196684107575
Energy: 1.8974587740995614
Energy: 2.0094421111270497
Energy: 1.8974587740954705
Energy: 1.4613387196538303
Energy: 1.0072730710616589
Energy: 1.6469724207055283
Energy: 1.0072730710616589
Energy: 0.7366066943064179
Energy: 1.185561754733405
Energy: 3.411681704869412
Energy: 1.1855617547313595
Energy: 1.3353606092314136
Energy: 2.024212690126654
Energy: 1.13625485760735
Energy: 2.024212690126654
Energy: 1.110842250923591
Energy: 1.7887003318905161
Energy: 1.5066444825421803
Energy: 1.7887003318905161
Energy: 1.6116196684107575
Energy: 1.8974587741138798
Energy: 1.6339431180069872
Energy: 1.8974587741097888
Energy: 1.4613387196538303
Energy: 1.0072730710739317
Energy: 1.8793238561850296
Energy: 1.0072730710616589
Energy: 0.7366066943064179
Energy: 1.185561754729314
Energy: 2.7341399409288747
Energy: 1.185561754729314
Energy: 1.33536060952382
Energy: 2.024212690138927
Energy: 1.3956954257448662
Energy: 2.024212690138927
Energy: 1.110842250923591
Energy: 1.7887003318905161
Energy: 1.506629210091216
Energy: 1.7887003318884707

minimum gb energy = -0.2588663691067151 eV
minimum distance =  2.09554611683905 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.7395315294347735
Energy: 2.0308226059649925
Energy: 1.3469195772748535
Energy: 2.030822605966507
Energy: 2.030001403991897
Energy: 2.5608485238504963
Energy: 1.5824122844061135
Energy: 2.560848523950427
Energy: 1.5222242656855836
Energy: 1.7241820219242254
Energy: 1.7562685983341442
Energy: 1.724182021903785
Energy: 2.0023054246542658
Energy: 2.2872927265532783
Energy: 1.1392700063358678
Energy: 2.287292723611914
Energy: 1.7206501955955404
Energy: 1.731672666296063
Energy: 1.3448600888421405
Energy: 1.7316726662968203
Energy: 1.5334701620114268
Energy: 2.3911482144411074
Energy: 1.4958048270832995
Energy: 2.391148214439594
Energy: 1.845230359041749
Energy: 2.453107284667284
Energy: 1.5304703567660343
Energy: 2.45310728467334
Energy: 1.6044193040615613
Energy: 2.0518650275973336
Energy: 1.0239659254325675
Energy: 2.0518648739636953
Energy: 1.9191774462308469
Energy: 1.9583809465953288
Energy: 1.2304953260446723
Energy: 1.9583809466059279
Energy: 2.3611192395210443
Energy: 1.9015469838278913
Energy: 1.4268522907014005
Energy: 1.9015469837794399
Energy: 1.3181644744443206
Energy: 1.6344357357794643
Energy: 3.1362840027927463
Energy: 1.634435735735555
Energy: 1.9494842501469984
Energy: 2.4147207122738874
Energy: 1.719165450180585
Energy: 2.41472071227609
Energy: 1.5148341179252287
Energy: 1.8117503739335579
Energy: 1.7483749387008325
Energy: 1.8117503736634268
Energy: 2.023472979688289
Energy: 2.065551341784519
Energy: 1.7415023590878185
Energy: 2.0655513417883045
Energy: 1.7579939461668308
Energy: 1.8478638404222516
Energy: 2.2085213837664317
Energy: 1.8477147729687102
Energy: 1.640538201649465
Energy: 1.9960152812644163
Energy: 3.152040709455764
Energy: 1.996015281234134
Energy: 1.814804506650002
Energy: 2.12773753228182
Energy: 1.5061191940083112
Energy: 2.127737532582233
Energy: 1.9804638745771912
Energy: 2.082638760665374
Energy: 2.4698579392202253
Energy: 2.08263876077439
Energy: 2.057086515723895
Energy: 1.9909655154745196
Energy: 1.5775578850950134
Energy: 1.9909655154737627
Energy: 1.7253704245004826
Energy: 2.0134092617608883
Energy: 2.201150952004078
Energy: 2.0134092617608883
Energy: 1.4869288124459858
Energy: 1.9943021892011776
Energy: 1.537016582229375
Energy: 1.9943021891989063
Energy: 1.7222580845767406
Energy: 2.344585387979092
Energy: 1.795474350446659
Energy: 2.3445853879609917
Energy: 1.3250904656495461
Energy: 1.855761315257209
Energy: 1.9020323753738977
Energy: 1.8557613152587233
Energy: 2.261520915530968
Energy: 1.768335110795798
Energy: 1.3863582587989522
Energy: 1.7683351107950414
Energy: 1.6023952750569406
Energy: 2.098072211508083
Energy: 1.8008462268853447
Energy: 2.098072437820719
Energy: 0.9726429409197989
Energy: 2.4566824505967184
Energy: 1.8417425562696894
Energy: 2.45668245059899
Energy: 1.4945763194442303
Energy: 2.144835453930046
Energy: 1.5908707953786647
Energy: 2.144835453930803
Energy: 1.5494195283153773
Energy: 1.8248826931424789
Energy: 2.6178219879807574
Energy: 1.8248826931462638
Energy: 1.664162647062629
Energy: 1.9308534440391414
Energy: 1.3785859442074049
Energy: 1.9308534406657045
Energy: 1.6125447939702797
Energy: 3.0252920967265826
Energy: 2.2620497275601696
Energy: 3.025292096724311
Energy: 1.032201201148359
Energy: 2.217504395168141
Energy: 1.4604260108263163
Energy: 2.2175043951658697
Energy: 1.178117762456092
Energy: 2.2145689979263556
Energy: 2.091273808371178
Energy: 2.2145689979248417
Energy: 1.1080293079455725
Energy: 2.37496161627158
Energy: 1.5384187751063203
Energy: 2.37496161663476
Energy: 0.8209223018176899
Energy: 1.6264285793097804
Energy: 2.1236509080219976
Energy: 1.626428581149355
Energy: 1.566796078963698
Energy: 1.9149812847248504
Energy: 1.8703744596710283
Energy: 1.9149812997298172

minimum gb energy = 0.8209223018176899 eV
minimum distance =  2.15921703959866 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.8473192662842954
Energy: 2.0182158090179243
Energy: 1.8742620223764819
Energy: 2.018215809016723
Energy: 1.7237725759554503
Energy: 2.0597002797405057
Energy: 1.9702013753191185
Energy: 2.0597002797381037
Energy: 0.6025515477967617
Energy: 2.053069637711516
Energy: 1.0714944805759887
Energy: 2.0530696377019066
Energy: 1.5835407435647537
Energy: 1.7108335562166288
Energy: 1.9049415577286812
Energy: 1.7108335562142263
Energy: 1.2198798883312099
Energy: 2.0599250155804225
Energy: 1.6353641780775707
Energy: 2.0599250155792217
Energy: 1.447024860588464
Energy: 2.0207368327688218
Energy: 3.7360425773484742
Energy: 2.020736832767621
Energy: 1.9340564810968934
Energy: 1.9745088316038446
Energy: 1.6424356671170182
Energy: 1.9745088315029773
Energy: 2.0034749688254605
Energy: 2.0525685861855143
Energy: 2.233289061138104
Energy: 2.0525685861855143
Energy: 1.910397637214013
Energy: 2.1182175728454946
Energy: 1.4375240241954341
Energy: 2.1182175728478967
Energy: 1.6685099991289702
Energy: 1.9679787723481894
Energy: 1.743056906417772
Energy: 1.9679787723481894
Energy: 1.032807265817783
Energy: 2.3224435612211236
Energy: 1.961931092033061
Energy: 2.322443561222325
Energy: 2.0289051244671046
Energy: 2.281576603262133
Energy: 2.151184243626291
Energy: 2.281576603256127
Energy: 1.336803617528213
Energy: 1.760398107786529
Energy: 2.16970943553427
Energy: 1.7604418274538507
Energy: 3.6657148825334027
Energy: 1.9291940173411752
Energy: 1.469872866790619
Energy: 1.9291928547990187
Energy: 1.51083697866575
Energy: 2.296635838369736
Energy: 1.633272146904141
Energy: 2.296635838370937
Energy: 2.9999643123180824
Energy: 2.1990567767588205
Energy: 1.9038038650303608
Energy: 2.1990567767600218
Energy: 1.7032567302620445
Energy: 1.8114610411632128
Energy: 1.8410235228894656
Energy: 1.81143749280016
Energy: 1.3911705857245014
Energy: 1.5297942560672564
Energy: 1.4473351552726874
Energy: 1.5297942560660551
Energy: 1.9652574829575624
Energy: 2.1438127557478235
Energy: 1.312244651025204
Energy: 2.1438127557478235
Energy: 1.4600881817659601
Energy: 2.1274214277933154
Energy: 2.015756878529363
Energy: 2.127421427792114
Energy: 2.070558310895872
Energy: 1.7509578955930383
Energy: 1.5686099172374892
Energy: 1.7509578955978427
Energy: 1.575357952722757
Energy: 1.7419059598125508
Energy: 1.220210771768178
Energy: 1.741905959813752

minimum gb energy = 0.6025515477967617 eV
minimum distance =  2.28757319663862 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.8398226239349676
Energy: 1.932994711992827
Energy: 1.830880007039907
Energy: 1.932994711992827
Energy: 1.5550666585981434
Energy: 2.150160599388181
Energy: 1.6494591882409613
Energy: 2.150160599391578
Energy: 1.4975436544368632
Energy: 2.3619237509530158
Energy: 1.4211955479409242
Energy: 2.3619237509530158
Energy: 1.5267864439076704
Energy: 1.6247098346294797
Energy: 1.173820391703647
Energy: 1.6247098346269317
Energy: 1.1059191470647727
Energy: 1.9501542878037512
Energy: 1.4388099119066107
Energy: 1.9501542877952578
Energy: 1.1303561497017727
Energy: 2.1200370212005186
Energy: 1.710646556739041
Energy: 2.120037021201368
Energy: 1.8565660466005491
Energy: 2.7263471240978325
Energy: 1.57750837905388
Energy: 2.726347124093586
Energy: 1.3629858601369491
Energy: 2.2884855883938093
Energy: 0.6174331471917707
Energy: 2.28848559764819
Energy: 1.9438695602767129
Energy: 2.252059835970251
Energy: 0.8165888094201136
Energy: 2.2520598360364597
Energy: 1.5234303987412774
Energy: 2.089036770499306
Energy: 1.5511622338328868
Energy: 2.0890367704848676
Energy: 2.659449331186287
Energy: 2.2280307572208478
Energy: 1.5654009120395176
Energy: 2.2280307572225464
Energy: 1.0863585668094802
Energy: 1.9527856169275277
Energy: 1.4027103773123302
Energy: 1.9527856169266782
Energy: 1.6058635014605338
Energy: 2.098646964433385
Energy: 1.9473536653017733
Energy: 2.098646964430837
Energy: 1.1535887055704608
Energy: 1.9479219270790296
Energy: 1.544928514686396
Energy: 1.9479219270773307
Energy: 1.3948865723527248
Energy: 2.2246361056651325
Energy: 2.0864733159046014
Energy: 2.2246361054614097
Energy: 1.3734297499123151
Energy: 2.7345178209537107
Energy: 1.828451448742447
Energy: 2.7345178209494643
Energy: 0.9313425598132065
Energy: 2.2874815246297855
Energy: 1.8352340928702138
Energy: 2.2874815246323337
Energy: 1.6935782682070295
Energy: 1.832025277224226
Energy: 2.2048884688600485
Energy: 1.832025277225925
Energy: 1.258990288890421
Energy: 2.514283315664119
Energy: 0.9409210612744136
Energy: 2.5142833156624205
Energy: 1.5530172187765399
Energy: 1.802348606554468
Energy: 1.8778874438123379
Energy: 1.802348606567208
Energy: 1.84768970380767
Energy: 2.3056380952989137
Energy: 0.9049975799523726
Energy: 2.3056380952751714
Energy: 1.6802169117942054
Energy: 1.6888860749191599
Energy: 1.9901675525924005
Energy: 1.6888880500704184
Energy: 1.6078647218815711
Energy: 2.7001334508031665
Energy: 1.6192068388231406
Energy: 2.7001334508031665
Energy: 1.2073025803351471
Energy: 1.8133864508914315
Energy: 1.6545173474983885
Energy: 1.8133864508837876
Energy: 2.2018473827350533
Energy: 2.2944078870556432
Energy: 1.1314295924569524
Energy: 2.2944078870573414
Energy: 1.4364402341881466
Energy: 1.8721761014911298
Energy: 1.1946173418767139
Energy: 1.8721761015013216
Energy: 1.1583140587433725
Energy: 2.3063051884486905
Energy: 1.9020375429909784
Energy: 2.306305188446992
Energy: 2.2848432615000838
Energy: 1.813484318512442
Energy: 1.6024700160926855
Energy: 1.813484318512442
Energy: 1.2112988633023767
Energy: 2.136427370164558
Energy: 1.7504735062780856
Energy: 2.1364273701628593
Energy: 1.2440232758094953
Energy: 2.497378663364711
Energy: 1.7283533553833548
Energy: 2.4973786633630124
Energy: 1.2812682887644349
Energy: 2.136832700590494
Energy: 1.4047456093977955
Energy: 2.136832700589645

minimum gb energy = 0.6174331471917707 eV
minimum distance =  1.96774342669122 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.7536537595798657
Energy: 1.2490327927580074
Energy: 1.2510623120016824
Energy: 1.249032792759454
Energy: -0.0952609175409286
Energy: 1.5699830073388958
Energy: 0.6029140603402543
Energy: 1.5699830073386
Energy: 1.0558469123241734
Energy: 1.2538483008192265
Energy: -0.3836006320161088
Energy: 1.2538483007744226
Energy: 1.4469850515996054
Energy: 0.2702261561342312
Energy: 1.112459664458894
Energy: 0.2702261544809199
Energy: 0.38906526469873165
Energy: 0.9212033517898163
Energy: 1.389902985079885
Energy: 0.9212033517308117
Energy: 0.11066719030097803
Energy: 0.10377045506091578
Energy: 2.7279760521881444
Energy: 0.10377045880502672
Energy: 1.2443763553091312
Energy: 1.1611542160642416
Energy: 0.49353492395092835
Energy: 1.1611542160645376
Energy: 0.4859474345507914
Energy: 1.3768210772325615
Energy: 0.7127818915376529
Energy: 1.3768210772325615
Energy: 0.33973475107260137
Energy: 0.74901576223816
Energy: 1.284451954625015
Energy: 0.7490157619889273

minimum gb energy = -0.3836006320161088 eV
minimum distance =  2.24917837661708 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.3277064110805987
Energy: 1.7723791210511568
Energy: 2.5659509404390066
Energy: 1.7723791210479476
Energy: 1.7483997987652165
Energy: 2.5492253949053216
Energy: 1.1510092924529107
Energy: 2.5492253949053216
Energy: 1.2604761867634358
Energy: 1.6271407894902945
Energy: 2.435260041397892
Energy: 1.6271409168055606
Energy: 1.6592480897347737
Energy: 1.7089549988732975
Energy: 1.7585470315504843
Energy: 1.7089549988371944
Energy: 1.6542051354489073
Energy: 2.028555847520996
Energy: 1.747966187117047
Energy: 2.0285558475242054
Energy: 2.478775644604088
Energy: 2.3627695910510647
Energy: 1.3276657900494069
Energy: 2.3627695910510647
Energy: 2.3914393560617677
Energy: 1.9173842482431755
Energy: 2.3357050306228793
Energy: 1.9173842482439778
Energy: 1.7318066764593978
Energy: 2.0660883114233064
Energy: 2.5156652470332648
Energy: 2.0660883114120745
Energy: 1.4838973675549099
Energy: 2.0510297926226855
Energy: 1.7333992651437884
Energy: 2.0510297926226855
Energy: 1.360132706759942
Energy: 1.7546398998918549
Energy: 2.0849870478665387
Energy: 1.7546399047780288
Energy: 2.255649728104134
Energy: 1.736507621481259
Energy: 1.3375396924363592
Energy: 1.872821801127554
Energy: 1.3298626423636968
Energy: 2.540073034111536
Energy: 2.3049820942281034
Energy: 2.5400730341107334
Energy: 2.3670249969242807
Energy: 1.8777836150217124
Energy: 1.2765496979128887
Energy: 1.877783615020108
Energy: 1.35485783888825
Energy: 2.723996461066452
Energy: 1.7892297071246974
Energy: 2.7239964610656497
Energy: 2.8783830498165677
Energy: 1.948786078873695
Energy: 1.2502989478038153
Energy: 1.9487860773299404
Energy: 1.4201928840554123
Energy: 2.7613000359836497
Energy: 4.616312006852689
Energy: 2.7613000360060407
Energy: 2.011637371255636
Energy: 1.8802590434879678
Energy: 1.124437281237394
Energy: 1.8802590435833677
Energy: 1.3275247612016854
Energy: 1.8957460316279426
Energy: 2.383927123882857
Energy: 1.895745707225842
Energy: 2.818894894844363
Energy: 1.8355552514618334
Energy: 1.3041617965169303
Energy: 1.8355552514618334
Energy: 1.8887638432099187
Energy: 2.4604624178874586
Energy: 1.666894755249532
Energy: 2.4604624178786336
Energy: 1.7453957589214504
Energy: 1.9454432432064253
Energy: 1.6541612269723178
Energy: 1.9454432432064253
Energy: 1.2855110576475746
Energy: 2.345749964014759
Energy: 1.574138337361524
Energy: 2.345749964014759
Energy: 2.4109519813225626
Energy: 1.8538813053068004
Energy: 2.029990367692286
Energy: 1.8538813052979752
Energy: 1.4752470802413595
Energy: 2.156487569227936
Energy: 1.5710592246540738
Energy: 2.1564875692287386
Energy: 1.3361504171090532
Energy: 1.7949008050483308
Energy: 1.5723496711369398
Energy: 1.794900803154996
Energy: 1.6118534033294516
Energy: 1.9588527928176884
Energy: 1.5562809895380763
Energy: 1.9588527928144794
Energy: 1.3855669731464393
Energy: 1.7533906294742347
Energy: 2.4818360708077987
Energy: 1.7533906305407718
Energy: 4.73385602068771
Energy: 2.402218495995872
Energy: 1.4534139166517115
Energy: 2.402218495993465
Energy: 1.0965426760379715
Energy: 1.9189350476001406
Energy: 1.9019842596078156
Energy: 1.9189350475985358
Energy: 2.573378840434667
Energy: 2.5295874105411373
Energy: 1.6248181730977689
Energy: 2.5295874105411373
Energy: 0.732498182132188
Energy: 2.1004387714432227
Energy: 3.095494989385431
Energy: 2.1004387714448276
Energy: 2.3100990050114856
Energy: 2.148267109909448
Energy: 0.920817011033203
Energy: 2.148265867759004
Energy: 1.3089215634683677
Energy: 1.8401148725071537
Energy: 1.5670291415696596
Energy: 1.8401148725063514

minimum gb energy = 0.732498182132188 eV
minimum distance =  2.03568458680654 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.2926016150457402
Energy: 2.190095181078253
Energy: 2.6857846034103097
Energy: 2.1900951810727065
Energy: 1.3204914592182355
Energy: 1.8044467743398442
Energy: 0.5358022590756686
Energy: 1.804446774338735
Energy: 1.173190533328084
Energy: 2.2595080540926196
Energy: 2.5316266108116996
Energy: 2.259508054088182
Energy: 1.9837989550153041
Energy: 1.4793633605429037
Energy: 1.2905756049518347
Energy: 1.4793633605396264
Energy: 1.3752283293461336
Energy: 2.196009266420504
Energy: 1.5377850987165222
Energy: 2.1960092664216133
Energy: 2.4153616623574172
Energy: 2.1122112952464738
Energy: 1.3504036383447098
Energy: 2.112211295255348
Energy: 1.561965140272637
Energy: 2.0609136618850337
Energy: 1.7583511035249164
Energy: 2.0609136618883617
Energy: 1.6442629824462214
Energy: 2.0394490257369324
Energy: 1.0578117439237178
Energy: 2.0394490257369324
Energy: 1.408485721234898
Energy: 1.3964108985860304
Energy: 1.6336460165356514
Energy: 1.396410897579239
Energy: 1.354440004135294
Energy: 1.895741647539396
Energy: 1.7666866199804778
Energy: 1.895741647539396
Energy: 1.0666364164760387
Energy: 1.8312157571081795
Energy: 2.080845572056805
Energy: 1.8312157566180705
Energy: 1.1341717943848106
Energy: 2.0534811735983736
Energy: 1.7334826142725641
Energy: 2.053481173593936
Energy: 1.8205257577105636
Energy: 2.0758055461315794
Energy: 1.2991324490436738
Energy: 2.0758055465762073
Energy: 1.3132016844734034
Energy: 2.1909815686878322
Energy: 1.6804958880246008
Energy: 2.190981568690051
Energy: 2.002021623836086
Energy: 1.777243704091716
Energy: 1.1871300569663972
Energy: 1.7772437040828921
Energy: 1.567281790436556
Energy: 2.262178510714369
Energy: 1.8586740097111372
Energy: 2.262178510718806
Energy: 1.9059314451045313
Energy: 1.9511349288913498
Energy: 0.9262015276874691
Energy: 1.9511349288935684
Energy: 1.2926016148073414
Energy: 2.190095181062723
Energy: 2.148024899053249
Energy: 2.1900951810616136
Energy: 1.3204915390790803
Energy: 1.804446773930714
Energy: 0.5357993432697913
Energy: 1.804446773928495
Energy: 1.1731905333181005
Energy: 2.2595080541114774
Energy: 1.6560824398323148
Energy: 2.259508054110368
Energy: 1.9837989550097577
Energy: 1.4793633604852705
Energy: 1.2905756049518347
Energy: 1.4793633604852705
Energy: 1.375228322808569
Energy: 2.196009266420504
Energy: 1.6179322211281288
Energy: 2.1960092664216133
Energy: 2.4153616622110903
Energy: 2.112211278822819
Energy: 1.3504036383436002
Energy: 2.112211278825038
Energy: 1.561965112487018
Energy: 2.060913661887253
Energy: 1.6165141399469611
Energy: 2.0609136618894714

minimum gb energy = 0.5357993432697913 eV
minimum distance =  1.9677418748921 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.3538829204124905
Energy: 1.6292460947009062
Energy: 2.521152382382516
Energy: 1.6292460947132474
Energy: 1.7697264498099938
Energy: 1.9485696523077858
Energy: 1.3434719591286088
Energy: 1.9485587241099442
Energy: 1.7035759109551545
Energy: 2.477048686855897
Energy: 2.7622580537009855
Energy: 2.477048686855897
Energy: 2.567005231086832
Energy: 1.9074001948767745
Energy: 1.3252268320107192
Energy: 1.9040091556198446
Energy: 1.4946492585491324
Energy: 1.7044494073176508
Energy: 2.0277201534149425
Energy: 1.704449366687775
Energy: 3.23937818429578
Energy: 1.9221109730853196
Energy: 1.5546584919045074
Energy: 1.922110972152605
Energy: 1.8307779168492069
Energy: 2.1004531375007565
Energy: 1.7807833541534317
Energy: 2.1004531375267486
Energy: 0.9120081269643356
Energy: 2.6195202241723097
Energy: 1.4558270222669223
Energy: 2.619520224172996
Energy: 1.4652408198063227
Energy: 1.8246422271016716
Energy: 2.672010990048872
Energy: 1.8246422271428095
Energy: 1.2484680621865223
Energy: 2.382975243973311
Energy: 2.0305084986245987
Energy: 2.3829752439726253
Energy: 1.575468064036049
Energy: 2.265803098998551
Energy: 2.1895476983120084
Energy: 2.2658030968459024
Energy: 1.3497628219178799
Energy: 1.7368799163692192
Energy: 2.0022848427892868
Energy: 1.7368799163705906
Energy: 1.6552527028957542
Energy: 2.0102657116410905
Energy: 1.7019503993871827
Energy: 2.010265711641776
Energy: 1.6128994141851736
Energy: 2.3060868760256894
Energy: 1.6499458538279868
Energy: 2.3060868761627544
Energy: 2.8970913542286927
Energy: 1.634279862348881
Energy: 1.2242721099910168
Energy: 1.6342798623913906
Energy: 1.4400052020099472
Energy: 1.801221050591794
Energy: 1.9957791766632043
Energy: 1.8012210505924795
Energy: 2.4066793286990587
Energy: 1.733913947129503
Energy: 1.5274699523289466
Energy: 1.73391394713156
Energy: 1.1652577279685863
Energy: 2.048853125223852
Energy: 2.518463752814799
Energy: 2.0488531253849143
Energy: 1.7774704091623235
Energy: 2.4827264257590187
Energy: 1.4597209109248974
Energy: 2.4827264257597044
Energy: 1.88230315009105
Energy: 2.3631954569125537
Energy: 3.1748438752127117
Energy: 2.3631954567782314
Energy: 2.217203802047699
Energy: 2.228588599817541
Energy: 1.1789083181045705
Energy: 2.228588599809314
Energy: 1.0817290432007995
Energy: 2.537989262257622
Energy: 2.2138910762066035
Energy: 2.537989262257622
Energy: 3.766376251903218
Energy: 2.056309644450126
Energy: 1.6536835636160574
Energy: 2.0563096444494398
Energy: 1.2680298283791496
Energy: 2.766803457308978
Energy: 2.149397833865355
Energy: 2.766803457308978
Energy: 2.3141483011295403
Energy: 2.3822615890255645
Energy: 1.3578083762403992
Energy: 2.382261589098865
Energy: 1.6352056826509036
Energy: 2.164267126228919
Energy: 1.8595377419371326
Energy: 2.164267125999294
Energy: 2.368318986423357
Energy: 1.8944644040688552
Energy: 1.6216419712870072
Energy: 1.8944644040852479
Energy: 1.888483350377519
Energy: 1.7606587298237044
Energy: 2.689126987291932
Energy: 1.7606587297901084
Energy: 1.7828106204849028
Energy: 2.225900604722629
Energy: 2.2915756469455197
Energy: 2.225900604724001
Energy: 1.1477703138662452
Energy: 2.256911573768814
Energy: 1.683113265077607
Energy: 2.2569115737681282
Energy: 2.3675444202233855
Energy: 2.074643566803685
Energy: 1.8791836912809172
Energy: 2.074643566803685
Energy: 2.6764936700416015
Energy: 1.754132894786724
Energy: 1.903710980615109
Energy: 1.7541328947874097
Energy: 1.537016503970147
Energy: 2.3378176199640337
Energy: 2.1623856953366096
Energy: 2.337817619966776
Energy: 1.679507617122316
Energy: 1.8129425498950946
Energy: 1.3299359277555698
Energy: 1.812942549877268
Energy: 1.9918640109398604
Energy: 2.3846738406507533
Energy: 2.2224534728024348
Energy: 2.3846738406781784
Energy: 2.4260261860480914
Energy: 2.0457070152567476
Energy: 1.8296675909310027
Energy: 2.0457065761563356
Energy: 1.4983296781568018
Energy: 1.92616440702422
Energy: 3.795078545609668
Energy: 1.9261086194903905
Energy: 1.8699065103733303
Energy: 1.7863360805508939
Energy: 1.7097110322567912
Energy: 1.786336080563921

minimum gb energy = 0.9120081269643356 eV
minimum distance =  2.20525007879721 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.030961799595090787
Energy: 1.4226811485227626
Energy: 1.8334024336403392
Energy: 1.4226811485209687
Energy: 1.02318720811096
Energy: 1.3318299061902488
Energy: 1.034203443851213
Energy: 1.331829906193837
Energy: 0.5152033516235149
Energy: 1.1929571033322124
Energy: 2.924970419703709
Energy: 1.1929571033340065
Energy: 1.6866062046766117
Energy: 1.8055197277966155
Energy: 0.5555181466743285
Energy: 1.8055197274881736
Energy: 0.487590895683424
Energy: 1.218420758279483
Energy: 1.2933970787173392
Energy: 1.2184207555341253
Energy: 1.1412564593224268
Energy: 1.2321582399074682
Energy: 0.45630494988498893
Energy: 1.2321573393572653
Energy: 0.38277520617511007
Energy: 1.4813071318218456
Energy: 0.4804710551035535
Energy: 1.4813071160669655
Energy: 1.3670450748109693
Energy: 1.2327070908680566
Energy: 0.6961381378561009
Energy: 1.2327070909021016
Energy: 0.4317232068647527
Energy: 1.415285940198426
Energy: 1.219987859974702
Energy: 1.415285940198426
Energy: 1.4672380609601445
Energy: 1.0225847664109806
Energy: 1.9631020850614225
Energy: 1.0225847664073926
Energy: 0.23281048149776554
Energy: 1.5193313653873133
Energy: 0.9345896188925701
Energy: 1.519331365175705
Energy: 0.8853984750104062
Energy: 1.569676054212959
Energy: 0.591765590464287
Energy: 1.5696760542111652
Energy: 0.6492952152293173
Energy: 2.7720420821749676
Energy: 2.4980071738130887
Energy: 2.7720420821767617
Energy: 1.5514657140042118
Energy: 1.4369217676008252
Energy: 0.7965729430049354
Energy: 1.4369217676008252
Energy: 1.8993099033932028
Energy: 1.378970905035056
Energy: 0.3094807578766997
Energy: 1.37897090503685

minimum gb energy = 0.030961799595090787 eV
minimum distance =  2.11418229793569 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.4646334459377024
Energy: 2.324499814302103
Energy: 5.925027487547029
Energy: 2.3244998142855606
Energy: 1.5155401877042456
Energy: 1.6740200904233304
Energy: 1.091210193642374
Energy: 1.6740201014558767
Energy: 0.9644187982968001
Energy: 2.606229155455813
Energy: 3.9219013138223775
Energy: 2.6062291554505497
Energy: 1.8158330965237506
Energy: 1.9695401608634626
Energy: 0.7511129743496168
Energy: 1.969540160867222
Energy: 1.219335796205927
Energy: 2.599617206637681
Energy: 2.7355097239731085
Energy: 2.599617206579783
Energy: 2.8128698767303986
Energy: 1.9593300109590972
Energy: 1.2032616117035286
Energy: 1.9593300109613532
Energy: 1.1743632082656108
Energy: 2.309964158382346
Energy: 2.369033915910648
Energy: 2.309964158588304
Energy: 1.9278886671663666
Energy: 2.257787619685152
Energy: 1.6290293128958513
Energy: 2.2577876196904154
Energy: 1.4232735293591374
Energy: 2.292643968951463
Energy: 2.38498847970611
Energy: 2.292643968873331
Energy: 1.9618411370449722
Energy: 2.213280221215679
Energy: 1.2537449218685586
Energy: 2.213280221209663
Energy: 1.4101428636646136
Energy: 2.2191181492135232
Energy: 3.461780278433306
Energy: 2.2191181492511194
Energy: 1.719548407526034
Energy: 2.317215542006003
Energy: 1.9889997960887795
Energy: 2.3172155419338187
Energy: 1.9267837060376793
Energy: 2.307225564684099
Energy: 3.213668377293924
Energy: 2.307225564681091
Energy: 1.7286987774237932
Energy: 2.4087720864125757
Energy: 1.8965567087610429
Energy: 2.408772086436637
Energy: 1.3925287736859162
Energy: 2.6340302664879824
Energy: 3.1987112964868483
Energy: 2.634030266490238
Energy: 1.5013799362226403
Energy: 2.3635216316520458
Energy: 2.1544084398232837
Energy: 2.3635216316520458
Energy: 1.8487006528607162
Energy: 1.943105702970089
Energy: 1.226852542402777
Energy: 2.0390193517291295
Energy: 1.435896416599652
Energy: 2.5127659053110456
Energy: 1.8508908635555654
Energy: 2.5127659053133016
Energy: 1.7343556311201078
Energy: 2.081188126481527
Energy: 1.4487309383733618
Energy: 2.081188120417684
Energy: 1.9460390311962406
Energy: 2.5483922560879906
Energy: 1.9094616783949785
Energy: 2.5483922560962617
Energy: 1.306581156512949
Energy: 2.50038307067859
Energy: 1.6282495520543994
Energy: 2.5003830706763344
Energy: 1.029808923533636
Energy: 2.6345211707236036
Energy: 2.2533065894577113
Energy: 2.6345211707220995
Energy: 1.4638637097371898
Energy: 2.35272205067829
Energy: 2.385501789696804
Energy: 2.352722050679794
Energy: 1.3679892927831927
Energy: 2.6513122263975846
Energy: 3.2456669230657726
Energy: 2.6513122264013447
Energy: 1.6341660280884438
Energy: 2.38787157598968
Energy: 1.0987785843756408
Energy: 2.3878715760415625
Energy: 1.5761573515094134
Energy: 2.3114650758192345
Energy: 3.2145265508269225
Energy: 2.3114650758470554
Energy: 1.3232148902066416
Energy: 2.057195336701579
Energy: 1.6255249196207167
Energy: 2.0571953481813825
Energy: 1.3836602137286726
Energy: 2.217502471252799
Energy: 3.4525860837618705
Energy: 2.2175024712543028
Energy: 1.3957334136674304
Energy: 1.8089542961304297
Energy: 1.5667700101310704
Energy: 1.8089542963227851
Energy: 1.0895784137675446
Energy: 2.2978516518435312
Energy: 2.589270404241093
Energy: 2.2978516518472905
Energy: 2.4347168970865107
Energy: 1.760768302713765
Energy: 1.2613472588073698
Energy: 1.760768302752865
Energy: 1.073383633172896
Energy: 2.3156643488173514
Energy: 2.3555716927394417
Energy: 2.3156643488196065
Energy: 1.627005478909203
Energy: 1.8635277652405566
Energy: 1.063322198878045
Energy: 1.8635277652480757
Energy: 1.4063551400319256
Energy: 2.6023660598797296
Energy: 2.7134947871131216
Energy: 2.6023660598789773
Energy: 2.4656330423180632
Energy: 1.879627014889559
Energy: 0.652797272850218
Energy: 1.879627014891063

minimum gb energy = 0.652797272850218 eV
minimum distance =  2.20673845543976 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.015369390042146
Energy: 1.9024228955808427
Energy: 2.389138048677578
Energy: 1.9024228955808427
Energy: 1.6478029691147424
Energy: 1.4529264433636693
Energy: 1.2719019473450912
Energy: 1.4529264433597884
Energy: 1.3671937508215137
Energy: 1.5285045397088204
Energy: 1.1937180664135243
Energy: 1.528504539710114
Energy: 1.279738703474161
Energy: 1.9159384417153236
Energy: 0.6867368926462638
Energy: 1.9159384522694698
Energy: -0.09490443081673657
Energy: 1.8406121549118237
Energy: 2.5281712471163327
Energy: 1.84061215491053
Energy: 2.1916768905492243
Energy: 1.7668307575630475
Energy: 1.125562614964621
Energy: 1.7668307575630475
Energy: 1.6559961527941585
Energy: 2.1570295821428167
Energy: 0.9142302510546166
Energy: 2.1570295821428167
Energy: 2.0443043182603633
Energy: 1.8128975567092571
Energy: 0.5748237800332635
Energy: 1.8128975567092571
Energy: 0.35113907838306474
Energy: 1.335979240682756
Energy: 1.7114703238743176
Energy: 1.3359792406439466
Energy: 2.3937354279932532
Energy: 2.2324244032126965
Energy: 0.2811561516404837
Energy: 2.232424403243715
Energy: 1.664993812092702
Energy: 1.8288387282645668
Energy: 1.0286159216677302
Energy: 1.8288387282645668
Energy: 1.636549274960624
Energy: 1.63142546121635
Energy: 0.9282328621791138
Energy: 1.6314254612202308
Energy: 0.725843409529953
Energy: 1.833296517268108
Energy: 1.724022186019139
Energy: 1.833296517268108
Energy: 0.960300494846443
Energy: 1.9921592594702493
Energy: 1.1411670975276966
Energy: 1.9921592594702493
Energy: 0.968956582523793
Energy: 2.2541472960487248
Energy: 1.228237303814911
Energy: 2.254147289874251
Energy: 1.024615765283802
Energy: 1.2055698264426178
Energy: 0.5395497968950193
Energy: 1.205569826456848
Energy: 0.6409237188737401
Energy: 1.4705843554257307
Energy: 3.540122869387318
Energy: 1.4705843554257307
Energy: 1.8282794646048117
Energy: 1.6447786855987883
Energy: 1.8777458944147678
Energy: 1.6447786856000821
Energy: 0.7764404978044199
Energy: 1.7757416764089713
Energy: 1.036763345671867
Energy: 1.7757416764128522
Energy: 1.3312282877424337
Energy: 1.580874900026221
Energy: 1.014500951512359
Energy: 1.5808749091489074

minimum gb energy = -0.09490443081673657 eV
minimum distance =  2.24648477548949 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.580414113210756
Energy: 1.4640411971780556
Energy: 1.8134353970358321
Energy: 1.464041196190563
Energy: 1.476006030718171
Energy: 1.8777673696189552
Energy: 1.5884267023271674
Energy: 1.8777673696250163
Energy: 1.1943143281201765
Energy: 1.974517485714961
Energy: 2.975203389257368
Energy: 1.9745174860310082
Energy: 1.8086433343919315
Energy: 2.380413764046699
Energy: 0.573712568201383
Energy: 2.38041376405175
Energy: 1.647953179566939
Energy: 1.4030365206993598
Energy: 1.7411285147757949
Energy: 1.403036451894548
Energy: 2.786532497631052
Energy: 1.4755700100312854
Energy: 1.9387599139658005
Energy: 1.4755700100120919
Energy: 1.2801984195906158
Energy: 2.826617885167237
Energy: 1.1435020294551825
Energy: 2.8266178853823125
Energy: 3.8886294844944658
Energy: 2.3778785717643123
Energy: 1.1020523423381916
Energy: 2.3778785717643123
Energy: 1.6367292387643078
Energy: 1.8097184716949533
Energy: 1.6024649651865897
Energy: 1.8097184707922693
Energy: 3.018435175431806
Energy: 1.2231821356202093
Energy: 1.8686189218998337
Energy: 1.2231821356202093
Energy: 1.3707766609089627
Energy: 2.6807334071593005
Energy: 0.7675017911534928
Energy: 2.6807334071603104
Energy: 4.070198866495827
Energy: 2.364987797261858
Energy: 1.4771714286580724
Energy: 2.364987797261858
Energy: 1.6403357128841716
Energy: 2.0624273778692284
Energy: 1.7999512499369323
Energy: 2.062427377890442
Energy: 2.748635866059158
Energy: 2.0297550299619718
Energy: 1.5758658945498596
Energy: 2.0297550302042757
Energy: 0.6471386775695407
Energy: 1.5567682354447092
Energy: 2.060652376252057
Energy: 1.556768235443699
Energy: 2.1820510151621586
Energy: 2.217202972008578
Energy: 1.2301680253137124
Energy: 2.217202972001553
Energy: 1.5733647924492165
Energy: 2.036004594211877
Energy: 2.1257665833014405
Energy: 2.036004594211877
Energy: 1.3207946809755384
Energy: 1.9743207022960505
Energy: 1.3183522360881812
Energy: 1.9743207028392955
Energy: 0.9351001880999928
Energy: 2.7873221502436225
Energy: 2.528938313960879
Energy: 2.7873221502426127
Energy: 1.4010658372664893
Energy: 1.4606010279915027
Energy: 1.7010605895243671
Energy: 1.4606010279915027
Energy: 1.5695683566598115
Energy: 2.3295517290163765
Energy: 2.3136664761285366
Energy: 2.329551729017387
Energy: 1.3293494354413118
Energy: 2.027483844320279
Energy: 1.172274582102664
Energy: 2.027483844332401
Energy: 1.290214629375699
Energy: 1.7783788600915864
Energy: 2.4593793604003285
Energy: 1.778400980070348
Energy: 2.286266163467538
Energy: 1.8728524034612817
Energy: 1.2659822502533333
Energy: 1.872852403486536
Energy: 1.8522447873317403
Energy: 2.2608531087639485
Energy: 1.8768075152226968
Energy: 2.2608531087780905
Energy: 1.429069897021606
Energy: 1.9369253693812412
Energy: 0.9743888979284409
Energy: 1.9369253846756227

minimum gb energy = 0.573712568201383 eV
minimum distance =  2.26333739849945 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.2262583791456423
Energy: 2.4184466411542567
Energy: 2.062226217138496
Energy: 2.4184466411559127
Energy: 1.0887665598938203
Energy: 1.7978532281533337
Energy: 1.0195883488416189
Energy: 1.7978577781076353
Energy: 0.8489805915649106
Energy: 2.6289910725995855
Energy: 1.4985077367803632
Energy: 2.6289910726004138
Energy: 1.0483216854127617
Energy: 2.0158858291258768
Energy: 1.2289760893677273
Energy: 2.015885829126705
Energy: 0.7915832150586211
Energy: 2.400067428369206
Energy: 1.7410324420059924
Energy: 2.40006742836755
Energy: 1.6270729012778986
Energy: 1.8980070347649978
Energy: 1.0376420549925114
Energy: 1.8980070349024758
Energy: 1.607741204584153
Energy: 2.405231835885471
Energy: 1.7656844898688369
Energy: 2.405231835884643
Energy: 2.0316447231360684
Energy: 2.465298073878994
Energy: 1.0082095785415508
Energy: 2.4652980738102546
Energy: 1.169794357323006
Energy: 1.8987676406941454
Energy: 2.593253583304891
Energy: 1.8987676407165062
Energy: 3.2521226922133315
Energy: 1.7774857529414851
Energy: 0.8842033001496328
Energy: 2.0219793368313104
Energy: 1.1018990659301147
Energy: 2.4016147267366987
Energy: 1.536431320487142
Energy: 2.401614726739183
Energy: 2.168369057324893
Energy: 1.7447491213481936
Energy: 1.5145951752606028
Energy: 1.7447491213978843
Energy: 1.035771482614664
Energy: 1.8799119116373109
Energy: 2.1012173928115843
Energy: 1.8799119489021037
Energy: 3.379656180519924
Energy: 1.7375654321097416
Energy: 1.2161928453762003
Energy: 1.7375654320327962
Energy: 1.0326632913346532
Energy: 2.4025764698636083
Energy: 1.6350034691575455
Energy: 2.402576469860296
Energy: 1.6438057080890094
Energy: 2.549680321232526
Energy: 0.9716018312125626
Energy: 2.549680321238323
Energy: 1.0918390500127046
Energy: 1.8451030255936176
Energy: 2.582112720982987
Energy: 1.8451030255944456
Energy: 1.73268469101122
Energy: 1.7609390225859902
Energy: 1.1020745449270524
Energy: 1.7609193381152548
Energy: 1.3596226693482036
Energy: 2.4200146379918976
Energy: 2.462290873862389
Energy: 2.420014637995211
Energy: 0.5614884530953945
Energy: 2.14121207478391
Energy: 1.1940797622426178
Energy: 2.1412120747830823
Energy: 0.8758410315106862
Energy: 1.9149649081042142
Energy: 2.2984912261371555
Energy: 1.914964908103386
Energy: 1.4567122628857043
Energy: 2.0335938890620664
Energy: 1.1294155060996687
Energy: 2.0335938433098
Energy: 1.698404053064231
Energy: 2.1279556232901773
Energy: 2.5711826645411358
Energy: 2.1279556232901773
Energy: 0.4903395292093902
Energy: 1.7584531405919626
Energy: 1.0377769344344252
Energy: 1.4958828492696208
Energy: 1.0340958278306538
Energy: 1.9920238809529673
Energy: 2.8180553844820597
Energy: 1.9920238809306066
Energy: 1.918729925058889
Energy: 2.1044896508719577
Energy: 0.9587731161942387
Energy: 2.1044896508744424
Energy: 1.0762070209871615
Energy: 2.1784529858887653
Energy: 2.4014048784715616
Energy: 2.1784529858887653
Energy: 0.9569532132026443
Energy: 1.9501789467271449
Energy: 1.0570193521081075
Energy: 1.950178946690705
Energy: 1.458905801766127
Energy: 2.1673750486070307
Energy: 1.7774454781846496
Energy: 2.167375048605374
Energy: 2.8181962984790263
Energy: 2.1877765580142072
Energy: 1.1170134209500495
Energy: 2.1877765580208326
Energy: 1.2509467092499569
Energy: 1.820482314320903
Energy: 1.8703885977531667
Energy: 1.820482314320903
Energy: 2.160461557276204
Energy: 2.5107620162365922
Energy: 1.3530102574035918
Energy: 2.5107620162374205

minimum gb energy = 0.4903395292093902 eV
minimum distance =  1.83787161089081 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.6116389072780377
Energy: 1.9434593235503863
Energy: 2.7080674473583444
Energy: 2.207670721529947
Energy: 1.6969038902563593
Energy: 2.6838445701194233
Energy: 1.0046383057491293
Energy: 2.6838445701194233
Energy: 1.2374595919546003
Energy: 2.01816012070955
Energy: 1.671724895529506
Energy: 2.018160120708146
Energy: 1.7939909689788878
Energy: 2.6859075640722776
Energy: 1.7118193903433052
Energy: 2.685907564070874
Energy: 1.330847918846228
Energy: 2.2570431303020784
Energy: 2.1799633886569665
Energy: 2.2570429893457207
Energy: 2.003144252335447
Energy: 2.6862368804115593
Energy: 1.678072427988344
Energy: 2.686236880412261
Energy: 1.148610092402795
Energy: 2.061496061677118
Energy: 1.8165268017936536
Energy: 2.0614960618825546
Energy: 2.3659075321089373
Energy: 2.5984913267400054
Energy: 1.7119709285493436
Energy: 2.598491326740707
Energy: 1.3059473678775702
Energy: 2.0067638679294713
Energy: 1.5121405486297042
Energy: 2.0067638679813244
Energy: 2.9629302765618855
Energy: 2.8144391841930596
Energy: 0.9737492151147746
Energy: 2.8144391841930596
Energy: 1.4183317191237788
Energy: 1.9014247178982746
Energy: 1.8024872967787315
Energy: 1.9014247178968713
Energy: 3.7929774027658336
Energy: 2.7562904570894724
Energy: 1.037580234236254
Energy: 2.7562904570901736
Energy: 1.0833414221834559
Energy: 1.8572630083827528
Energy: 1.62214262100035
Energy: 1.8582100993904906
Energy: 3.100988402728806
Energy: 2.589610317542263
Energy: 1.7590581550655322
Energy: 2.589610317542263
Energy: 1.411732806682373
Energy: 1.9372673822633981
Energy: 1.8623873357211918
Energy: 1.9372673822514714
Energy: 3.8908474730295013
Energy: 2.736705180664331
Energy: 1.6817813612611625
Energy: 2.736705180667138
Energy: 1.0360811419111864
Energy: 2.1709716458037773
Energy: 2.524772632293607
Energy: 2.170971645847913
Energy: 2.8732311818763727
Energy: 2.7149853533779735
Energy: 1.5300996996671117
Energy: 2.7149853533786756
Energy: 1.2931024017826127
Energy: 1.8401264663372785
Energy: 1.7828905121750676
Energy: 1.8401264662734342
Energy: 2.427502432813025
Energy: 2.9045326484934995
Energy: 1.2436041839159544
Energy: 2.9045326484949023
Energy: 1.3475294442786008
Energy: 2.2424739254471917
Energy: 2.031867197698787
Energy: 2.2424739239990594
Energy: 1.8511100478737328
Energy: 2.2857717995129225
Energy: 1.9848835739922717
Energy: 2.2857717995066085
Energy: 1.2495485721560649
Energy: 1.9096687627325886
Energy: 2.090108188222147
Energy: 1.9096687623405948
Energy: 1.8306795492019534
Energy: 2.7190433151440936
Energy: 1.69301622048548
Energy: 2.719043315144795
Energy: 1.1806940179393217
Energy: 1.9800211543536699
Energy: 3.1952051098568752
Energy: 1.9800211543473554
Energy: 1.363980813728207
Energy: 1.9643471722058272
Energy: 1.9819532438564087
Energy: 1.9643471335951985
Energy: 1.5737555741517772
Energy: 1.7195366010718338
Energy: 2.1420259884017385
Energy: 1.7195366010690274
Energy: 1.7085780875844068
Energy: 2.7144388168245133
Energy: 1.5612014309504874
Energy: 2.7144388168252145
Energy: 1.1886031274010054
Energy: 2.3036297643780834
Energy: 2.9265156703666726
Energy: 2.3036297643759784
Energy: 1.2483035083382512
Energy: 2.048538892832753
Energy: 1.8598451396512774
Energy: 2.048538892841172
Energy: 0.9300294721415235
Energy: 2.696578411881893
Energy: 2.250586540780695
Energy: 2.6965784118797886
Energy: 1.9668011371997525
Energy: 2.295594145620786
Energy: 1.5240961038183152
Energy: 2.2955941456214877
Energy: 1.3959501081100478
Energy: 2.2168212186852556
Energy: 2.974736641238547
Energy: 2.216821218673329
Energy: 1.4217867561773823
Energy: 1.7447258665470216
Energy: 1.9807638180708604
Energy: 1.744725866551933
Energy: 1.0649020260271114
Energy: 2.844198004817497
Energy: 1.5839540374766243
Energy: 2.8441980048203037
Energy: 3.1464334885143854
Energy: 1.7550721793055708
Energy: 1.6469400200462736
Energy: 1.7553297054380916
Energy: 1.31306257829557
Energy: 2.1255845865402305
Energy: 2.392472688339193
Energy: 2.1255845865339165

minimum gb energy = 0.9300294721415235 eV
minimum distance =  2.13478454240285 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.3945185190262968
Energy: 2.3473288029353725
Energy: 2.1701346445573635
Energy: 2.3473288028587587
Energy: 1.8040231585536801
Energy: 2.5497528517967787
Energy: 1.3649506448636075
Energy: 2.5497528517967787
Energy: 1.2720600341757458
Energy: 2.0901158211020445
Energy: 3.195846901848937
Energy: 2.090115821102653
Energy: 1.1065838706756352
Energy: 2.119123520397711
Energy: 1.1481336181833115
Energy: 2.1191235205844325
Energy: 1.445908086378431
Energy: 1.8269968925621356
Energy: 1.6000457832729804
Energy: 1.8269968925803626
Energy: 1.8920834141124843
Energy: 2.549252154077122
Energy: 1.3659725517157135
Energy: 2.5492521540783386
Energy: 1.4851894677068345
Energy: 2.1646420518203158
Energy: 1.4265921545142033
Energy: 2.164635138290578
Energy: 1.6515500252667308
Energy: 2.216121459080173
Energy: 1.2002042460625346
Energy: 2.216121459080173
Energy: 1.630548757068905
Energy: 1.9324767134987697
Energy: 2.166477651717959
Energy: 1.9324767135042464
Energy: 1.8864297880554657
Energy: 2.5582039508490837
Energy: 1.2534124833369458
Energy: 2.5582039508484753
Energy: 0.8264051117616391
Energy: 1.828975850954181
Energy: 1.4862115652694514
Energy: 1.8289760040819139
Energy: 1.7624209665118904
Energy: 2.555016573961175
Energy: 1.442970699925568
Energy: 2.5550165739021793
Energy: 1.29260801353586
Energy: 2.318957449720186
Energy: 1.760904311647502
Energy: 2.3189574496319834
Energy: 3.1865055827330453
Energy: 2.6488253199209684
Energy: 1.6203270641552034
Energy: 2.6488253199203595
Energy: 1.26603417053795
Energy: 1.9177538353722778
Energy: 1.8139309113782873
Energy: 1.9177538353813774
Energy: 1.6303366994154374
Energy: 1.8297837117602493
Energy: 1.4379216204667853
Energy: 1.829783711575353
Energy: 1.5336060711880741
Energy: 2.2898173198541314
Energy: 1.907008324593889
Energy: 2.289817319853523
Energy: 3.7510349745979883
Energy: 2.6361093231716595
Energy: 1.7201830519065744
Energy: 2.636109323171051
Energy: 1.5233228553634344
Energy: 2.2846588610660743
Energy: 1.3539135341250206
Energy: 2.284658861078244
Energy: 2.261028918525141
Energy: 2.4050535939299245
Energy: 1.4430710374883255
Energy: 2.405053593927519
Energy: 1.3501455666092295
Energy: 1.788752492476493
Energy: 1.9394579910019552
Energy: 1.7887524949251736
Energy: 1.9078218397694633
Energy: 2.7632988155123206
Energy: 1.6444516546913006
Energy: 2.763298815511712
Energy: 1.2486134205096897
Energy: 1.9883333741201696
Energy: 1.6578582733082172
Energy: 1.9883333741189528
Energy: 1.0834151792377997
Energy: 2.076800303409404
Energy: 1.214579332226058
Energy: 2.076800303371097
Energy: 1.263774615139223
Energy: 2.2665707035448097
Energy: 2.5854248533771065
Energy: 2.2665707034189086
Energy: 1.7894897564859127
Energy: 1.854128202819173
Energy: 1.4464658707747495
Energy: 1.8541282028453379
Energy: 1.1647866006706702
Energy: 1.985833113352069
Energy: 2.167321826062222
Energy: 1.985833113352069
Energy: 1.9238387586743269
Energy: 2.3791169461972634
Energy: 1.183654134259427
Energy: 2.3791169461954387
Energy: 1.5504944275782708
Energy: 1.7554126792077278
Energy: 3.3903513439580593
Energy: 1.7554126792667233
Energy: 1.9636690362454772
Energy: 2.074719359697516
Energy: 1.8740621510056552
Energy: 2.074719359697516
Energy: 1.6636667115318642
Energy: 1.8550117590804034
Energy: 3.3557904938410186
Energy: 1.8375919919620611
Energy: 1.2958817230686763
Energy: 2.400446577360843
Energy: 0.9448421336459469
Energy: 2.4004465773906314
Energy: 1.5083250057655047
Energy: 2.465199136331751
Energy: 3.4884113567951633
Energy: 2.465199136367624
Energy: 1.9686726282363523
Energy: 2.0842320406844177
Energy: 1.87621957079536
Energy: 2.0842320406844177
Energy: 1.384436147225361
Energy: 2.5507783908383272
Energy: 2.2089958040495623
Energy: 2.5507783908389356
Energy: 1.5226823835098793
Energy: 2.273712628524229
Energy: 1.4416031937530212
Energy: 2.273712628551002
Energy: 1.622420346218296
Energy: 2.5107895706765158
Energy: 2.555093630006865
Energy: 2.5107895706759074
Energy: 2.2382237279046873
Energy: 1.9563829604947771
Energy: 1.8724779607302429
Energy: 1.9563829604953855
Energy: 1.3670074239278502
Energy: 1.8837813505989904
Energy: 1.499459986700687
Energy: 1.883781352443086
Energy: 1.2046977925702933
Energy: 2.3159719384171202
Energy: 1.0298618310372838
Energy: 2.315971938412861
Energy: 1.2423329690352352
Energy: 2.474876104760404
Energy: 1.5803363933493821
Energy: 2.474876104759187
Energy: 2.4333337150279224
Energy: 1.8360195853181653
Energy: 1.6682774388370716
Energy: 1.8360219324087546
Energy: 1.8001447933708399
Energy: 1.9984024941608223
Energy: 1.708407414474933
Energy: 1.9984024941608223

minimum gb energy = 0.8264051117616391 eV
minimum distance =  2.04633239111799 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.02053770458440555
Energy: -1.9156422891812679
Energy: -6.953414277100524
Energy: -1.9156422891817355
Energy: -2.1758525070579915
Energy: 0.41462115322563037
Energy: 0.4153093487413875
Energy: 0.4146211532246948
Energy: 0.02053770458440555
Energy: -1.9156422891794487
Energy: -6.9534142771014595
Energy: -1.915642289174875
Energy: -2.1758525071814314
Energy: 0.41462115336414274
Energy: 0.41530934874362235
Energy: 0.41462115335728206
Energy: 0.02053770458440555
Energy: -1.9156422892292402
Energy: -6.953414277100056
Energy: -1.9156422892288245
Energy: -2.175852503958382
Energy: 0.4146211532237593
Energy: 0.41530934874227105
Energy: 0.41462115323020415

minimum gb energy = -6.9534142771014595 eV
minimum distance =  2.48236063285593 Angstroms
sigma value = 1